SCHEMBL590446

SCHEMBL590446

CN(C)CCN(C)c1ccc(C(=O)Nc2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(S(=O)(=O)c4cc(F)cc(F)c4)cc23)c([N+](=O)[O-])c1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
LMNA P02545 2/20 0.32
BDKRB1 P46663 2/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
MAPT P10636 2/20 0.30
POLB P06746 1/20 0.30
BDKRB2 P30411 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
ALK Q9UM73 1/20 0.30
FLT1 P17948 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL591241 0.96 BDKRB1 (0.34) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL592571 0.94 TRPM8 (0.32) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL589710 0.93 ABCC9 (0.32) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL591742 0.90 LMNA (0.34) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL589444 0.90 ALK (0.32) LMNAMEN1KMT2AMAPTALK
SCHEMBL592726 0.89 THRB (0.37) LMNAMEN1KMT2AMAPTTRPV4
SCHEMBL591187 0.88 LMNA (0.34) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL591321 0.88 KMT2A (0.36) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL589707 0.86 CACNA1B (0.34) LMNAMEN1KMT2AMAPTTRPV4
SCHEMBL591915 0.84 TRPV4 (0.32) KMT2ATRPM8TRPV4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120932-B1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2014-07-09 EP disclosed
US-8114865-B2 Indazole derivatives as kinase inhibitors for the treatment of cancer NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-14 US disclosed
US-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-08-05 US disclosed
EP-2120932-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Nerviano Medical Sciences S.r.l. (IT) 2009-11-25 EP disclosed
WO-2008074749-A9 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2009-05-07 WO disclosed
WO-2008074749-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER MAP3K5, MAP3K19, MAP3K3 ABCC9 1789/4885ABCC8 2308/4885KCNJ11 3141/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.